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- Add statistics_interval parameter to GamdLogger constructor - Calculate ntwx correctly as step // statistics_interval - Update both gamd_logger and gamd_reweighting_logger instantiations - Fix hardcoded ntwx value of 1 that prevented proper log file indexing - Maintain backward compatibility with default statistics_interval=500 Fixes issue where ntwx column always showed 1 instead of incrementing properly with each statistics write interval.
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Fix ntwx logging calculation
Problem
The
ntwxparameter in GaMD log files was hardcoded to 1, causing incorrect logging intervals and potentially misleading statistics output.Solution
Fixed
write_to_gamd_log()ingamd/GamdLogger.py:ntwx = 1(hardcoded)ntwx = step // statistics_interval(calculated correctly)Technical Details
Impact
Testing